3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol

C20H26F2N4O — CID 10407185

IUPAC3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol
SMILESCCC(O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3
InChIKeyWZAOXRLRCQESBE-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.95
Rot. Bonds7

About 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol

3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol (PubChem CID 10407185) has the molecular formula C20H26F2N4O and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol
PubChem CID10407185
Molecular FormulaC20H26F2N4O
Molecular Weight376.45 g/mol
Exact Mass376.21
IUPAC Name3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol
SMILESCCC(O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3
InChIKeyWZAOXRLRCQESBE-UHFFFAOYSA-N
XLogP2.95
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol?
The IUPAC name of 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol (CID 10407185) is 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol?
The canonical SMILES for 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol is CCC(O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol?
The InChIKey is WZAOXRLRCQESBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N4O/c1-2-20(27,16-4-6-17(21)7-5-16)8-3-9-25-10-12-26(13-11-25)19-23-14-18(22)15-24-19/h4-7,14-15,27H,2-3,8-13H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol?
3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol has a molecular weight of 376.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]hexan-3-ol is sourced from PubChem (CID 10407185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).